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Cas Database |
| Name |
alpha,alpha,alpha-Trifluoro-o-cresol |
EINECS | 207-148-7 |
| CAS No. | 444-30-4 | Density | 1.335 g/cm3 |
| PSA | 20.23000 | LogP | 2.41100 |
| Solubility | N/A | Melting Point |
45-46 °C(lit.) |
| Formula | C7H5F3O | Boiling Point | 147.5 °C at 760 mmHg |
| Molecular Weight | 162.111 | Flash Point | 65.6 °C |
| Transport Information | UN 1325 4.1/PG 2 | Appearance | solid |
| Safety | 26-36-24/25 | Risk Codes | 20/21/22-36/37/38-41 |
| Molecular Structure |
|
Hazard Symbols |
 Xn,  Xi
|
| Synonyms |
o-Cresol, a,a,a-trifluoro- (7CI,8CI);2-(Trifluoromethyl)phenol;NSC 88333;o-(Trifluoromethyl)phenol;o-Hydroxybenzotrifluoride;o-a,a,a-Trifluorocresol;a,a,a-Trifluoro-o-cresol;2-Trifluoromethylphenol;Phenol,2-(trifluoromethyl)-; |
Article Data | 28 |
alpha,alpha,alpha-Trifluoro-o-cresol Chemical Properties
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IUPAC Name: 2-(Trifluoromethyl)phenol
Canonical SMILES: C1=CC=C(C(=C1)C(F)(F)F)O
InChI: InChI=1S/C7H5F3O/c8-7(9,10)5-3-1-2-4-6(5)11/h1-4,11H
InChIKey: ZOQOPXVJANRGJZ-UHFFFAOYSA-N
Molecular Weight: 162.10921 [g/mol]
Molecular Formula: C7H5F3O
XLogP3: 2.8
H-Bond Donor: 1
H-Bond Acceptor: 4
EINECS: 207-148-7
Product Categories: Trifluoromethylbenzene serise
Stability: Stable. Flammable. Incompatible with oxidizing agents, acid chlorides, acid anhydrides.
Index of Refraction: 1.457
Molar Refractivity: 33.11 cm3
Molar Volume: 121.3 cm3
Surface Tension: 28.1 dyne/cm
Density: 1.335 g/cm3
Flash Point: 65.6 °C
Enthalpy of Vaporization: 40.03 kJ/mol
Boiling Point: 147.5 °C at 760 mmHg
Vapour Pressure: 3.48 mmHg at 25 °C
Appearance: Colorless and transparent liquid
Melting Point of alpha,alpha,alpha-Trifluoro-o-cresol (CAS NO.444-30-4): 45-46 °C(lit.)
alpha,alpha,alpha-Trifluoro-o-cresol Safety Profile
Hazard Codes: 
Xn,
Xi
Risk Statements: 20/21/22-36/37/38-41
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed.
R36/37/38:Irritating to eyes, respiratory system and skin.
R41:Risk of serious damage to the eyes.
Safety Statements: 26-36-24/25
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36:Wear suitable protective clothing.
S24/25:Avoid contact with skin and eyes.
RIDADR: UN 1325 4.1/PG 2
WGK Germany: 3
Hazard Note: Irritant
HazardClass: IRRITANT
alpha,alpha,alpha-Trifluoro-o-cresol Specification
alpha,alpha,alpha-Trifluoro-o-cresol (CAS NO.444-30-4), its Synonyms are Phenol, 2-(trifluoromethyl)- ; 2-(Trifluoromethyl)phenol ; o-Trifluoromethylphenol ; o-Hydroxybenzotrifluoride .
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